1-(1,2,4-trimethylcyclohex-3-en-1-yl)pentan-3-ol|1-(1,2,4-trimethylcyclohex-3-en-1-yl)pentan-3-ol|1-(1,2,4-trimethylcyclohex-3-en-1-yl)pentan-3-ol

General Information

Structure

Molecular Formula

C₁₄H₂₆O

Molecular Mass

210.35564

Exact Mass

210.19836545

Charge

InChI

InChI=1S/C14H26O/c1-5-13(15)7-9-14(4)8-6-11(2)10-12(14)3/h10,12-13,15H,5-9H2,1-4H3

InChIKey

SUQHUQJFQPNSCG-UHFFFAOYSA-N

Canonic Smiles

CCC(CCC1(C)CCC(=CC1C)C)O

Isomeric Smiles

C1=C(CCC(C1C)(CCC(O)CC)C)C

Calculated Properties

JChem

Acid pKa

18.16043

H Acceptors

H Donor

LogD (pH = 5.5)

3.814493

LogD (pH = 7.4)

3.814493

Log P

3.814493

Molar Refractivity

66.6504

Polarizability

26.194197

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

1-(1,2,4-trimethylcyclohex-3-en-1-yl)pentan-3-ol

IUPAC Traditional name

1-(1,2,4-trimethylcyclohex-3-en-1-yl)pentan-3-ol

IUPAC name

1-(1,2,4-trimethylcyclohex-3-en-1-yl)pentan-3-ol

Names and Identifiers

Registration numbers

PubChem SID

162107695

PubChem CID

3575286

Registration numbers

Properties

No Data Available

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Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

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References

PubChem Literature

No Data Available

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References

Bioactivity

PubChem BioAssay

Bioactivity

Molecule

ID:119618